2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide

C18H21N3O5S — CID 24510149

IUPAC2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C
InChIInChI=1S/C18H21N3O5S/c1-4-9-19-18(22)15-7-5-6-8-16(15)20-27(25,26)17-11-14(21(23)24)10-12(2)13(17)3/h5-8,10-11,20H,4,9H2,1-3H3,(H,19,22)
InChIKeyCWKCVEGKKAYIMM-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.15
Rot. Bonds7

About 2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide

2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide (PubChem CID 24510149) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
PubChem CID24510149
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C
InChIInChI=1S/C18H21N3O5S/c1-4-9-19-18(22)15-7-5-6-8-16(15)20-27(25,26)17-11-14(21(23)24)10-12(2)13(17)3/h5-8,10-11,20H,4,9H2,1-3H3,(H,19,22)
InChIKeyCWKCVEGKKAYIMM-UHFFFAOYSA-N
XLogP3.15
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 40690037
2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 40687985
3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 7516664
2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 2966829
2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide
CID 28635564
N-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 75393186
N-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 26486969
2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 24502128
N-(2-amino-3-nitrophenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 75456692
N-(3-chloro-2-ethoxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 60579062
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide
CID 91969524

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide?
The IUPAC name of 2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide (CID 24510149) is 2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide.
What is the SMILES notation for 2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide?
The canonical SMILES for 2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C.
What is the InChIKey of 2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide?
The InChIKey is CWKCVEGKKAYIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-4-9-19-18(22)15-7-5-6-8-16(15)20-27(25,26)17-11-14(21(23)24)10-12(2)13(17)3/h5-8,10-11,20H,4,9H2,1-3H3,(H,19,22).
What are the key properties of 2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide?
2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide has a molecular weight of 391.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide is sourced from PubChem (CID 24510149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).